QC1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| F18 | C15 | sing | 1.35Å | 1.34Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.49Å | |
| C12 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | N10 | sing | 1.46Å | 1.30Å | |
| N10 | C2 | sing | 1.39Å | 1.38Å | |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
| C3 | N4 | sing | 1.32Å | 1.36Å | Aromatic |
| C2 | C1 | sing | 1.41Å | 1.39Å | Aromatic |
| O8 | C7 | doub | 1.21Å | 1.30Å | |
| N4 | C5 | doub | 1.32Å | 1.31Å | Aromatic |
| C1 | C7 | sing | 1.48Å | 1.48Å | |
| C1 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C7 | O9 | sing | 1.35Å | 1.20Å | |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| O9 | H6 | sing | 0.97Å | 0.95Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| N10 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C15 | 118.8° | 120.0° |
| C14 | C13 | C12 | 120.3° | 120.0° |
| C13 | C14 | H1 | 120.6° | 120.0° |
| C14 | C13 | H2 | 119.9° | 120.0° |
| C14 | C15 | F18 | 120.5° | 120.0° |
| C14 | C15 | C16 | 121.9° | 119.9° |
| C15 | C14 | H1 | 120.6° | 120.0° |
| C13 | C12 | C11 | 123.5° | 120.0° |
| C13 | C12 | C17 | 119.6° | 120.1° |
| C12 | C13 | H2 | 119.8° | 119.9° |
| F18 | C15 | C16 | 117.6° | 120.0° |
| C15 | C16 | C17 | 118.4° | 120.0° |
| C15 | C16 | H3 | 120.8° | 120.0° |
| C11 | C12 | C17 | 115.9° | 119.9° |
| C12 | C11 | N10 | 116.4° | 109.5° |
| C12 | C11 | H5 | 107.7° | 109.4° |
| C12 | C11 | H10 | 107.7° | 109.5° |
| C12 | C17 | C16 | 121.0° | 120.0° |
| C12 | C17 | H4 | 119.5° | 120.0° |
| C11 | N10 | C2 | 123.6° | 120.0° |
| N10 | C11 | H5 | 107.7° | 109.5° |
| N10 | C11 | H10 | 107.7° | 109.5° |
| C11 | N10 | H11 | 105.8° | 119.9° |
| N10 | C2 | C3 | 123.7° | 120.6° |
| N10 | C2 | C1 | 121.9° | 120.6° |
| C2 | N10 | H11 | 105.8° | 120.0° |
| C17 | C16 | H3 | 120.8° | 120.0° |
| C16 | C17 | H4 | 119.5° | 120.0° |
| C2 | C3 | N4 | 124.4° | 120.8° |
| C3 | C2 | C1 | 114.4° | 118.8° |
| C2 | C3 | H7 | 117.8° | 119.7° |
| C3 | N4 | C5 | 120.3° | 122.2° |
| N4 | C3 | H7 | 117.8° | 119.5° |
| C2 | C1 | C7 | 123.5° | 121.0° |
| C2 | C1 | C6 | 119.6° | 118.0° |
| O8 | C7 | C1 | 121.0° | 119.9° |
| O8 | C7 | O9 | 117.7° | 120.0° |
| N4 | C5 | C6 | 119.1° | 121.1° |
| N4 | C5 | H8 | 120.4° | 119.4° |
| C7 | C1 | C6 | 116.9° | 121.0° |
| C1 | C7 | O9 | 121.3° | 120.0° |
| C1 | C6 | C5 | 122.0° | 119.1° |
| C1 | C6 | H9 | 119.0° | 120.4° |
| C7 | O9 | H6 | 109.5° | 117.0° |
| C6 | C5 | H8 | 120.4° | 119.4° |
| C5 | C6 | H9 | 119.0° | 120.5° |
| H5 | C11 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C15 | H1 | 180.0° | 180.0° |
| C14 | C13 | C12 | H2 | 180.0° | 179.9° |
| C13 | C14 | C15 | F18 | 178.4° | 180.0° |
| C13 | C14 | C15 | C16 | 0.8° | 0.2° |
| C14 | C13 | C12 | C11 | 169.4° | 180.0° |
| C14 | C13 | C12 | C17 | 1.4° | 0.2° |
| C15 | C14 | C13 | C12 | 1.0° | 0.0° |
| C14 | C15 | F18 | C16 | 177.7° | 179.8° |
| C14 | C15 | C16 | C17 | 1.1° | 0.2° |
| C15 | C14 | C13 | H2 | 179.0° | 179.9° |
| C14 | C15 | C16 | H3 | 178.9° | 179.7° |
| C13 | C12 | C11 | C17 | 168.4° | 179.7° |
| C13 | C12 | C11 | N10 | 111.6° | 90.0° |
| C13 | C12 | C17 | C16 | 1.8° | 0.3° |
| C12 | C13 | C14 | H1 | 179.0° | 180.0° |
| C13 | C12 | C17 | H4 | 178.3° | 179.8° |
| C13 | C12 | C11 | H5 | 127.4° | 149.9° |
| C13 | C12 | C11 | H10 | 9.4° | 30.0° |
| F18 | C15 | C16 | C17 | 178.8° | 180.0° |
| F18 | C15 | C14 | H1 | 1.6° | 0.0° |
| F18 | C15 | C16 | H3 | 1.2° | 0.0° |
| C15 | C16 | C17 | C12 | 1.6° | 0.1° |
| C15 | C16 | C17 | H3 | 180.0° | 179.9° |
| C16 | C15 | C14 | H1 | 179.2° | 179.8° |
| C15 | C16 | C17 | H4 | 178.5° | 180.0° |
| C12 | C11 | N10 | H5 | 121.0° | 120.0° |
| C12 | C11 | N10 | H10 | 121.0° | 120.0° |
| C12 | C11 | N10 | C2 | 170.4° | 180.0° |
| C11 | C12 | C17 | C16 | 170.6° | 180.0° |
| C11 | C12 | C13 | H2 | 10.6° | 0.1° |
| C11 | C12 | C17 | H4 | 9.4° | 0.0° |
| C12 | C11 | H5 | H10 | 116.8° | 120.0° |
| C12 | C11 | N10 | H11 | 67.6° | 0.0° |
| C17 | C12 | C11 | N10 | 56.8° | 89.7° |
| C12 | C17 | C16 | H4 | 180.0° | 179.9° |
| C17 | C12 | C13 | H2 | 178.5° | 179.7° |
| C12 | C17 | C16 | H3 | 178.5° | 180.0° |
| C17 | C12 | C11 | H5 | 64.2° | 30.3° |
| C17 | C12 | C11 | H10 | 177.7° | 150.3° |
| C11 | N10 | C2 | H11 | 121.9° | 180.0° |
| C11 | N10 | C2 | C3 | 8.7° | 5.7° |
| C11 | N10 | C2 | C1 | 171.7° | 174.6° |
| N10 | C11 | H5 | H10 | 116.8° | 120.0° |
| N10 | C2 | C3 | C1 | 179.6° | 179.7° |
| N10 | C2 | C3 | N4 | 179.8° | 179.9° |
| N10 | C2 | C1 | C7 | 0.7° | 0.1° |
| N10 | C2 | C1 | C6 | 178.6° | 180.0° |
| C2 | N10 | C11 | H5 | 49.4° | 60.0° |
| N10 | C2 | C3 | H7 | 0.2° | 0.0° |
| C2 | N10 | C11 | H10 | 68.6° | 60.0° |
| C2 | C3 | N4 | H7 | 180.0° | 179.9° |
| C2 | C3 | N4 | C5 | 1.6° | 0.0° |
| C3 | C2 | C1 | C7 | 179.7° | 179.7° |
| C3 | C2 | C1 | C6 | 1.1° | 0.3° |
| C3 | C2 | N10 | H11 | 113.2° | 174.3° |
| N4 | C3 | C2 | C1 | 0.5° | 0.3° |
| C3 | N4 | C5 | C6 | 1.0° | 0.2° |
| C3 | N4 | C5 | H8 | 179.0° | 180.0° |
| C2 | C1 | C7 | O8 | 2.6° | 5.7° |
| C2 | C1 | C7 | C6 | 179.2° | 179.9° |
| C2 | C1 | C7 | O9 | 177.2° | 174.3° |
| C2 | C1 | C6 | C5 | 1.7° | 0.1° |
| C1 | C2 | C3 | H7 | 179.5° | 179.7° |
| C2 | C1 | C6 | H9 | 178.2° | 180.0° |
| C1 | C2 | N10 | H11 | 66.4° | 5.3° |
| O8 | C7 | C1 | O9 | 179.7° | 180.0° |
| O8 | C7 | C1 | C6 | 178.2° | 174.4° |
| O8 | C7 | O9 | H6 | 0.0° | 0.0° |
| N4 | C5 | C6 | C1 | 0.7° | 0.1° |
| N4 | C5 | C6 | H8 | 180.0° | 179.8° |
| C5 | N4 | C3 | H7 | 178.4° | 180.0° |
| N4 | C5 | C6 | H9 | 179.3° | 179.7° |
| C7 | C1 | C6 | C5 | 179.0° | 179.9° |
| C1 | C7 | O9 | H6 | 179.7° | 180.0° |
| C7 | C1 | C6 | H9 | 1.0° | 0.0° |
| C6 | C1 | C7 | O9 | 2.1° | 5.6° |
| C1 | C6 | C5 | H9 | 180.0° | 179.9° |
| C1 | C6 | C5 | H8 | 179.4° | 179.9° |
| H1 | C14 | C13 | H2 | 1.0° | 0.1° |
| H3 | C16 | C17 | H4 | 1.5° | 0.1° |
| H5 | C11 | N10 | H11 | 171.3° | 120.0° |
| H8 | C5 | C6 | H9 | 0.6° | 0.0° |
| H10 | C11 | N10 | H11 | 53.3° | 120.0° |
